{"id":30980,"npaid":"NPA030980","original_name":"20-hydroxy-18-oxotryprostatin A","mol_formula":"C22H27N3O5","mol_weight":"413.4740","exact_mass":"413.1951","inchikey":"GPLMHHDLYSEADN-IRXDYDNUSA-N","smiles":"COC1=CC2=C(C=C1)C(C[C@@H]1NC(=O)[C@@H]3CCCN3C1=O)=C(C(=O)CC(C)(C)O)N2","cluster_id":26,"node_id":25,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C22H27N3O5/c1-22(2,29)11-18(26)19-14(13-7-6-12(30-3)9-15(13)23-19)10-16-21(28)25-8-4-5-17(25)20(27)24-16/h6-7,9,16-17,23,29H,4-5,8,10-11H2,1-3H3,(H,24,27)/t16-,17-/m0/s1","m_plus_h":"414.2024","m_plus_na":"436.1843","origin_reference":{"doi":"10.3390/md18070352","pmid":32640519,"authors":"Han, Jianying; Liu, Miaomiao; Jenkins, Ian D.; Liu, Xueting; Zhang, Lixin; Quinn, Ronald J.; Feng, Yunjiang","title":"Genome-Inspired Chemical Exploration of Marine Fungus Aspergillus fumigatus MF071","journal":"Marine Drugs","year":2020,"volume":"18","issue":"7","pages":"352"},"origin_organism":{"id":10313,"type":"Fungus","genus":"Aspergillus","species":"fumigatus MF071","taxon":{"id":1237,"name":"Aspergillus","rank":"genus","taxon_db":"mycobank","external_id":"7248","ncbi_id":5052,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1236,"name":"Aspergillaceae","rank":"family","taxon_db":"mycobank","external_id":"80489","ncbi_id":1131492}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.3390/md18070352","structure_smiles":"COC1=CC2=C(C=C1)C(C[C@@H]1NC(=O)[C@@H]3CCCN3C1=O)=C(C(=O)CC(C)(C)O)N2","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002519"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"COC1=CC2=C(C=C1)C(C[C@@H]1NC(=O)[C@@H]3CCCN3C1=O)=C(N2)C(=O)CC(C)(C)O","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=GPLMHHDLYSEADN-IRXDYDNUSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":[],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. 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